Detalhe da pesquisa
1.
Auto-regulation of Secretory Flux by Sensing and Responding to the Folded Cargo Protein Load in the Endoplasmic Reticulum.
Cell
; 176(6): 1461-1476.e23, 2019 03 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-30849374
2.
PKD-dependent PARP12-catalyzed mono-ADP-ribosylation of Golgin-97 is required for E-cadherin transport from Golgi to plasma membrane.
Proc Natl Acad Sci U S A
; 119(1)2022 01 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-34969853
3.
MetaSpot: A General Approach for Recognizing the Reactive Atoms Undergoing Metabolic Reactions Based on the MetaQSAR Database.
Int J Mol Sci
; 24(13)2023 Jul 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-37446241
4.
Target Prediction by Multiple Virtual Screenings: Analyzing the SARS-CoV-2 Phenotypic Screening by the Docking Simulations Submitted to the MEDIATE Initiative.
Int J Mol Sci
; 25(1)2023 Dec 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-38203621
5.
Exscalate4CoV: Innovative High Performing Computing (HPC) Strategies to Tackle Pandemic Crisis.
Int J Mol Sci
; 23(19)2022 Sep 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-36232873
6.
Extensive Sampling of Molecular Dynamics Simulations to Identify Reliable Protein Structures for Optimized Virtual Screening Studies: The Case of the hTRPM8 Channel.
Int J Mol Sci
; 23(14)2022 Jul 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35886905
7.
Structural Evolution of Delta (B.1.617.2) and Omicron (BA.1) Spike Glycoproteins.
Int J Mol Sci
; 23(15)2022 Aug 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-35955815
8.
The Spike Mutants Website: A Worldwide Used Resource against SARS-CoV-2.
Int J Mol Sci
; 23(21)2022 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36361870
9.
Altered Local Interactions and Long-Range Communications in UK Variant (B.1.1.7) Spike Glycoprotein.
Int J Mol Sci
; 22(11)2021 May 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-34067272
10.
SARS-CoV-2 Entry Inhibitors: Small Molecules and Peptides Targeting Virus or Host Cells.
Int J Mol Sci
; 21(16)2020 Aug 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32784899
11.
Combining Molecular Dynamics and Docking Simulations to Develop Targeted Protocols for Performing Optimized Virtual Screening Campaigns on The hTRPM8 Channel.
Int J Mol Sci
; 21(7)2020 Mar 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-32218173
12.
Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations.
Int J Mol Sci
; 21(15)2020 Jul 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-32731361
13.
A Comprehensive Mapping of the Druggable Cavities within the SARS-CoV-2 Therapeutically Relevant Proteins by Combining Pocket and Docking Searches as Implemented in Pockets 2.0.
Int J Mol Sci
; 21(14)2020 Jul 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-32708196
14.
Targeting the minor pocket of C5aR for the rational design of an oral allosteric inhibitor for inflammatory and neuropathic pain relief.
Proc Natl Acad Sci U S A
; 111(47): 16937-42, 2014 Nov 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-25385614
15.
Molecular mechanism and functional role of brefeldin A-mediated ADP-ribosylation of CtBP1/BARS.
Proc Natl Acad Sci U S A
; 110(24): 9794-9, 2013 Jun 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-23716697
16.
LiGen: a high performance workflow for chemistry driven de novo design.
J Chem Inf Model
; 53(6): 1518-27, 2013 Jun 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-23617275
17.
Use of experimental design to optimize docking performance: the case of LiGenDock, the docking module of LiGen, a new de novo design program.
J Chem Inf Model
; 53(6): 1503-17, 2013 Jun 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-23590204
18.
Ensemble of structure and ligand-based classification models for hERG liability profiling.
Front Pharmacol
; 14: 1148670, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37033661
19.
Structure of human TRPM8 channel.
Commun Biol
; 6(1): 1065, 2023 10 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-37857704
20.
MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions.
Expert Opin Drug Discov
; 18(8): 821-833, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37424369